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1490550-10-1 | "[1-(cyclobutylmethyl)-1H-1,2,3-triazol-4-yl]methanol"
CAS No: 1490550-10-1 Catalog No: AG01FM6P MDL No:MFCD21241263
Product Description
Catalog Number:
AG01FM6P
Chemical Name:
"[1-(cyclobutylmethyl)-1H-1,2,3-triazol-4-yl]methanol"
CAS Number:
1490550-10-1
Molecular Formula:
C8H13N3O
Molecular Weight:
167.2083
MDL Number:
MFCD21241263
IUPAC Name:
[1-(cyclobutylmethyl)triazol-4-yl]methanol
InChI:
InChI=1S/C8H13N3O/c12-6-8-5-11(10-9-8)4-7-2-1-3-7/h5,7,12H,1-4,6H2
InChI Key:
YQMAMLYEAMYURF-UHFFFAOYSA-N
SMILES:
OCc1nnn(c1)CC1CCC1
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.106g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
167.212g/mol
Monoisotopic Mass:
167.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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